2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C28H31F4N7O3 — CID 46212518

About 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212518) has the molecular formula C28H31F4N7O3 and a molecular weight of 589.59 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46212518
• Molecular Formula: C28H31F4N7O3
• Molecular Weight: 589.59 g/mol
• Exact Mass: 589.24
• IUPAC Name: 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: CC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)Nc5ccccc5F)CC4)nc3)o2)C1
• InChI: InChI=1S/C28H31F4N7O3/c1-17-13-18(2)16-39(15-17)27-36-24(28(30,31)32)23(42-27)25(40)34-19-7-8-22(33-14-19)37-9-11-38(12-10-37)26(41)35-21-6-4-3-5-20(21)29/h3-8,14,17-18H,9-13,15-16H2,1-2H3,(H,34,40)(H,35,41)
• InChIKey: OUOSMUYWXKFNJJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.59
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212518) is 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)Nc5ccccc5F)CC4)nc3)o2)C1.

What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is OUOSMUYWXKFNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F4N7O3/c1-17-13-18(2)16-39(15-17)27-36-24(28(30,31)32)23(42-27)25(40)34-19-7-8-22(33-14-19)37-9-11-38(12-10-37)26(41)35-21-6-4-3-5-20(21)29/h3-8,14,17-18H,9-13,15-16H2,1-2H3,(H,34,40)(H,35,41).

What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 589.59 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).